#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nmm s LEU 2 N 0.00 4.41 0.67 1.34 1.43 -1.26 -5.05 118.68 120.22 3nmm s LEU 2 Ca 0.00 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 3nmm s LEU 2 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3nmm s LEU 2 CO 0.00 -0.23 1.06 -0.94 0.23 0.00 0.00 176.35 176.47 3nmm s SER 3 N 0.71 5.63 0.40 2.29 1.04 -1.26 -4.92 113.70 117.58 3nmm s SER 3 Ca 0.51 1.14 0.09 0.00 0.48 0.00 0.00 55.95 58.17 3nmm s SER 3 Cb -0.23 -2.02 0.81 0.00 0.10 0.00 0.00 66.02 64.69 3nmm s SER 3 CO 0.29 -1.21 1.96 -0.65 0.98 0.00 0.00 173.24 174.61 3nmm h PRO 4 N -0.53 0.32 -0.42 4.02 0.11 -2.00 -1.83 132.00 131.67 3nmm h PRO 4 Ca -0.45 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3nmm h PRO 4 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3nmm h PRO 4 CO 0.63 0.37 -0.13 0.00 -0.21 0.00 0.00 178.00 178.66 3nmm h ALA 5 N 1.67 0.99 -0.64 -0.75 0.00 -2.00 -2.18 119.26 116.35 3nmm h ALA 5 Ca 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3nmm h ALA 5 Cb 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3nmm h ALA 5 CO 0.01 0.60 0.36 -0.44 0.00 0.00 0.00 179.25 179.78 3nmm h ASP 6 N 0.68 0.55 -0.73 0.00 3.32 -1.72 -1.26 116.42 117.27 3nmm h ASP 6 Ca 0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3nmm h ASP 6 Cb 0.60 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3nmm h ASP 6 CO 0.04 0.36 0.34 0.11 -1.72 0.00 0.00 179.24 178.38 3nmm h LYS 7 N 0.68 1.05 -0.51 3.56 1.57 -0.92 0.13 116.57 122.14 3nmm h LYS 7 Ca 0.28 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3nmm h LYS 7 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3nmm h LYS 7 CO -0.16 0.83 0.33 1.15 -0.57 0.00 0.00 179.45 181.02 3nmm h THR 8 N 1.02 1.14 -0.70 -0.16 2.02 -1.16 -1.18 112.91 113.89 3nmm h THR 8 Ca 0.25 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3nmm h THR 8 Cb 0.13 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3nmm h THR 8 CO -0.03 0.13 0.38 0.78 0.37 0.00 0.00 175.52 177.16 3nmm h ASN 9 N 0.68 0.87 -0.30 4.18 2.35 -0.70 -1.88 115.58 120.78 3nmm h ASN 9 Ca 0.18 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 3nmm h ASN 9 Cb -0.06 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 3nmm h ASN 9 CO -0.04 0.71 -0.32 0.58 -1.65 0.00 0.00 177.43 176.72 3nmm h VAL 10 N 0.96 1.30 -0.75 2.81 2.07 -0.81 -1.25 116.25 120.57 3nmm h VAL 10 Ca 0.25 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 3nmm h VAL 10 Cb 0.03 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3nmm h VAL 10 CO -0.04 0.48 0.24 0.11 0.02 0.00 0.00 177.57 178.38 3nmm h LYS 11 N 0.50 1.15 -0.10 1.57 1.57 -1.11 -0.58 116.57 119.57 3nmm h LYS 11 Ca 0.05 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3nmm h LYS 11 Cb 0.89 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3nmm h LYS 11 CO 0.08 0.98 -0.00 0.00 -0.57 0.00 0.00 179.45 179.93 3nmm h ALA 12 N 1.14 0.14 -0.53 3.86 0.00 -1.26 -0.68 119.26 121.93 3nmm h ALA 12 Ca 0.24 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3nmm h ALA 12 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3nmm h ALA 12 CO -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 3nmm h ALA 13 N 0.73 0.72 -0.04 0.00 0.00 -1.05 -2.22 119.26 117.40 3nmm h ALA 13 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3nmm h ALA 13 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3nmm h ALA 13 CO 0.01 0.55 -0.57 2.35 0.00 0.00 0.00 179.25 181.59 3nmm h TRP 14 N 0.82 0.17 -0.81 0.00 2.91 -1.13 -2.11 115.95 115.80 3nmm h TRP 14 Ca 0.15 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 3nmm h TRP 14 Cb 0.55 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.13 3nmm h TRP 14 CO 0.04 0.67 0.47 0.78 -1.03 0.00 0.00 178.44 179.37 3nmm h GLY 15 N 1.56 1.18 1.27 2.65 0.00 -0.89 -1.91 103.07 106.93 3nmm h GLY 15 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 3nmm h GLY 15 CO 0.08 0.49 -0.38 1.70 0.00 0.00 0.00 176.54 178.43 3nmm h LYS 16 N 1.12 0.81 -0.45 4.80 1.63 -0.83 -2.47 116.57 121.17 3nmm h LYS 16 Ca 0.29 -0.41 0.09 0.00 -0.85 0.00 0.00 60.65 59.77 3nmm h LYS 16 Cb -0.02 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.54 3nmm h LYS 16 CO -0.05 1.04 -0.08 0.28 -3.45 0.00 0.00 179.45 177.19 3nmm h VAL 17 N 0.66 0.57 0.00 2.00 2.07 -0.97 -3.45 116.25 117.13 3nmm h VAL 17 Ca 0.06 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3nmm h VAL 17 Cb 0.93 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3nmm h VAL 17 CO 0.09 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.29 3nmm n GLY 18 N -1.32 3.15 0.00 2.17 0.00 -0.76 -1.78 105.19 106.65 3nmm n GLY 18 Ca 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3nmm n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nmm n ALA 19 N 9.87 1.54 1.56 4.61 0.00 -1.26 -1.89 120.51 134.95 3nmm n ALA 19 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3nmm n ALA 19 Cb 0.00 -1.17 0.55 0.00 0.00 0.00 0.00 19.45 18.83 3nmm n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3nmm n HIS 20 N -1.41 0.07 -0.25 0.00 8.25 -0.73 -4.44 115.22 116.70 3nmm n HIS 20 Ca 0.03 -0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 3nmm n HIS 20 Cb 0.10 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.30 3nmm n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nmm h ALA 21 N 4.10 0.94 -0.30 -1.41 0.00 -1.52 -0.85 119.26 120.23 3nmm h ALA 21 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3nmm h ALA 21 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3nmm h ALA 21 CO 0.00 0.20 0.10 0.78 0.00 0.00 0.00 179.25 180.33 3nmm h GLY 22 N 0.85 0.49 0.45 0.00 0.00 -1.79 -0.71 103.07 102.36 3nmm h GLY 22 Ca 0.29 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.43 3nmm h GLY 22 CO -0.12 0.27 0.27 -2.09 0.00 0.00 0.00 176.54 174.87 3nmm h GLU 23 N 0.33 0.47 -0.34 4.80 4.81 -1.75 -2.08 114.58 120.82 3nmm h GLU 23 Ca 0.10 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3nmm h GLU 23 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3nmm h GLU 23 CO -0.00 0.31 -0.17 1.88 -0.73 0.00 0.00 179.01 180.30 3nmm h TYR 24 N 0.48 0.68 -0.67 0.92 0.99 -0.75 -0.98 116.97 117.64 3nmm h TYR 24 Ca 0.31 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.89 3nmm h TYR 24 Cb 0.35 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 37.88 3nmm h TYR 24 CO -0.14 0.75 0.30 0.78 -0.00 0.00 0.00 178.16 179.85 3nmm h GLY 25 N 0.98 1.04 1.02 3.88 0.00 -0.79 -0.61 103.07 108.59 3nmm h GLY 25 Ca 0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3nmm h GLY 25 CO 0.04 0.50 0.04 0.00 0.00 0.00 0.00 176.54 177.13 3nmm h ALA 26 N 1.14 0.72 -0.71 3.60 0.00 -1.12 -1.76 119.26 121.13 3nmm h ALA 26 Ca 0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3nmm h ALA 26 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3nmm h ALA 26 CO -0.03 0.50 0.17 1.49 0.00 0.00 0.00 179.25 181.39 3nmm h GLU 27 N 0.80 1.14 -0.76 0.00 4.81 -1.03 -1.61 114.58 117.94 3nmm h GLU 27 Ca 0.16 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3nmm h GLU 27 Cb 0.47 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3nmm h GLU 27 CO 0.02 1.00 0.42 0.00 -0.73 0.00 0.00 179.01 179.72 3nmm h ALA 28 N 1.09 0.98 -0.18 2.92 0.00 -0.94 0.43 119.26 123.55 3nmm h ALA 28 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3nmm h ALA 28 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3nmm h ALA 28 CO 0.00 0.49 0.10 1.25 0.00 0.00 0.00 179.25 181.09 3nmm h LEU 29 N 1.06 0.22 -0.35 0.00 5.85 -0.88 -0.66 115.31 120.55 3nmm h LEU 29 Ca 0.27 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3nmm h LEU 29 Cb 0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3nmm h LEU 29 CO -0.04 0.23 0.21 -0.08 -0.34 0.00 0.00 178.44 178.43 3nmm h GLU 30 N 0.19 0.47 -0.73 1.25 4.81 -0.88 -0.87 114.58 118.82 3nmm h GLU 30 Ca 0.06 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3nmm h GLU 30 Cb 0.06 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 3nmm h GLU 30 CO -0.01 0.34 0.37 0.00 -0.73 0.00 0.00 179.01 178.98 3nmm h ARG 31 N 0.46 0.60 -0.34 1.92 3.08 -0.72 -1.55 114.38 117.82 3nmm h ARG 31 Ca 0.13 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3nmm h ARG 31 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3nmm h ARG 31 CO -0.02 0.39 0.08 1.98 -1.07 0.00 0.00 179.97 181.33 3nmm h MET 32 N 0.61 0.54 -0.94 0.04 4.05 -0.55 -0.09 114.93 118.60 3nmm h MET 32 Ca 0.36 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.66 3nmm h MET 32 Cb 0.39 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.07 3nmm h MET 32 CO -0.28 0.60 0.62 0.74 0.23 0.00 0.00 176.91 178.83 3nmm h PHE 33 N 0.39 1.18 0.09 1.39 0.04 -0.81 0.47 116.94 119.70 3nmm h PHE 33 Ca 0.11 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.67 3nmm h PHE 33 Cb 0.30 -0.40 0.02 0.00 2.20 0.00 0.00 35.95 38.08 3nmm h PHE 33 CO 0.02 0.74 -0.95 -0.07 -0.60 0.00 0.00 178.31 177.44 3nmm h LEU 34 N 1.27 0.68 -0.25 1.54 3.38 -1.17 -3.24 115.31 117.51 3nmm h LEU 34 Ca 0.34 -0.84 -0.20 0.00 0.09 0.00 0.00 57.88 57.27 3nmm h LEU 34 Cb -0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3nmm h LEU 34 CO -0.08 1.45 -0.90 0.28 0.09 0.00 0.00 178.44 179.28 3nmm h SER 35 N 0.00 0.23 -2.42 -0.43 0.02 -0.95 -3.40 113.55 106.61 3nmm h SER 35 Ca -0.15 -0.19 -0.59 0.00 -0.84 0.00 0.00 61.79 60.02 3nmm h SER 35 Cb 1.68 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.75 3nmm h SER 35 CO 0.18 1.01 -0.88 0.49 -1.14 0.00 0.00 176.83 176.49 3nmm n PHE 36 N -3.63 0.52 0.31 3.45 3.01 0.15 -5.00 117.46 116.28 3nmm n PHE 36 Ca -0.03 -3.66 0.19 0.00 1.01 0.00 0.00 57.45 54.96 3nmm n PHE 36 Cb 0.82 -0.13 1.04 0.00 -0.01 0.00 0.00 39.48 41.20 3nmm n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3nmm h PRO 37 N 5.08 0.00 0.00 -1.08 0.11 -1.73 -1.00 132.00 133.39 3nmm h PRO 37 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3nmm h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3nmm h PRO 37 CO 0.51 0.01 -0.01 1.79 -0.21 0.00 0.00 178.00 180.10 3nmm h THR 38 N 0.00 0.47 0.00 -1.15 1.35 -1.91 -1.21 112.91 110.45 3nmm h THR 38 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3nmm h THR 38 Cb 0.08 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3nmm h THR 38 CO 0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 3nmm h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.49 -2.09 112.91 117.50 3nmm h THR 39 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3nmm h THR 39 Cb 0.02 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3nmm h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 3nmm h LYS 40 N 0.00 0.00 -0.00 4.72 1.57 -1.41 -2.39 116.57 119.06 3nmm h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nmm h LYS 40 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3nmm h LYS 40 CO 0.00 0.00 0.05 1.79 -0.57 0.00 0.00 179.45 180.72 3nmm h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.55 -0.74 112.91 111.81 3nmm h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3nmm h THR 41 Cb 0.39 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3nmm h THR 41 CO 0.00 0.00 -0.37 -1.22 -0.25 0.00 0.00 175.52 173.68 3nmm n TYR 42 N -3.06 0.00 -2.53 4.73 4.01 -0.90 -4.30 117.16 115.11 3nmm n TYR 42 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 3nmm n TYR 42 Cb 0.11 -0.23 0.02 0.00 -0.31 0.00 0.00 39.34 38.93 3nmm n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3nmm n PHE 43 N -1.25 2.36 0.30 -0.72 3.01 -0.29 -4.90 117.46 115.97 3nmm n PHE 43 Ca 0.08 -2.83 0.17 0.00 1.01 0.00 0.00 57.45 55.87 3nmm n PHE 43 Cb 0.33 -0.23 0.66 0.00 -0.01 0.00 0.00 39.48 40.24 3nmm n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3nmm h PRO 44 N 2.69 0.00 0.00 -1.08 0.13 -1.74 -2.66 132.00 129.34 3nmm h PRO 44 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3nmm h PRO 44 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3nmm h PRO 44 CO 0.66 0.00 -0.21 0.72 -0.23 0.00 0.00 178.00 178.94 3nmm n HIS 45 N -2.96 0.00 -3.48 1.56 8.25 -1.26 -5.00 115.22 112.32 3nmm n HIS 45 Ca 0.01 -1.19 -0.35 0.00 -0.26 0.00 0.00 57.72 55.92 3nmm n HIS 45 Cb 0.29 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 3nmm n HIS 45 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3nmm s PHE 46 N -2.99 3.60 -0.61 4.41 5.99 -1.01 -5.04 117.98 122.33 3nmm s PHE 46 Ca 0.34 0.91 -0.28 0.00 0.00 0.00 0.00 56.93 57.90 3nmm s PHE 46 Cb 0.32 -2.25 0.02 0.00 0.00 0.00 0.00 43.02 41.10 3nmm s PHE 46 CO -0.01 0.48 1.41 0.34 -0.00 0.00 0.00 175.22 177.44 3nmm s ASP 47 N -1.72 6.08 0.00 6.13 2.15 -1.26 -4.84 116.67 123.21 3nmm s ASP 47 Ca 0.35 0.11 0.26 0.00 0.43 0.00 0.00 52.55 53.70 3nmm s ASP 47 Cb -0.14 -2.55 1.05 0.00 -0.30 0.00 0.00 42.92 40.98 3nmm s ASP 47 CO 0.18 -1.78 1.74 0.18 -0.17 0.00 0.00 175.17 175.32 3nmm n LEU 48 N 9.73 1.35 -4.76 -1.34 4.77 -1.26 -4.31 117.00 121.17 3nmm n LEU 48 Ca 0.11 -0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 55.23 3nmm n LEU 48 Cb 0.49 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3nmm n LEU 48 CO 0.71 0.24 0.87 -0.94 -1.33 0.00 0.00 177.39 176.94 3nmm s SER 49 N -1.87 5.83 -0.03 -1.43 1.04 -1.26 -4.88 113.70 111.10 3nmm s SER 49 Ca 0.37 2.42 -0.37 0.00 0.48 0.00 0.00 55.95 58.85 3nmm s SER 49 Cb 0.20 -2.61 -0.16 0.00 0.10 0.00 0.00 66.02 63.55 3nmm s SER 49 CO 0.32 -1.16 1.51 1.57 0.98 0.00 0.00 173.24 176.45 3nmm n HIS 50 N -0.77 1.77 -0.95 5.02 -0.00 -1.26 -1.43 115.22 117.60 3nmm n HIS 50 Ca 0.09 0.55 0.00 0.00 0.46 0.00 0.00 57.72 58.82 3nmm n HIS 50 Cb 0.48 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 3nmm n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nmm n GLY 51 N 3.19 0.60 3.76 1.57 0.00 -1.26 -5.00 105.19 108.04 3nmm n GLY 51 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3nmm n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nmm s SER 52 N -2.16 5.12 0.38 1.61 1.04 -0.51 -4.80 113.70 114.37 3nmm s SER 52 Ca 0.00 2.12 0.09 0.00 0.48 0.00 0.00 55.95 58.64 3nmm s SER 52 Cb 0.00 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 64.32 3nmm s SER 52 CO 0.00 -1.63 1.91 0.00 0.98 0.00 0.00 173.24 174.50 3nmm h ALA 53 N 0.30 1.49 -0.32 5.32 0.00 -1.90 -0.33 119.26 123.82 3nmm h ALA 53 Ca -0.48 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 3nmm h ALA 53 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3nmm h ALA 53 CO 0.54 0.36 -0.13 1.96 0.00 0.00 0.00 179.25 181.99 3nmm h GLN 54 N 0.24 0.65 -0.38 0.00 4.20 -1.90 0.14 115.11 118.07 3nmm h GLN 54 Ca 0.05 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3nmm h GLN 54 Cb 0.38 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3nmm h GLN 54 CO 0.02 0.85 0.15 0.28 -0.67 0.00 0.00 178.83 179.46 3nmm h VAL 55 N 0.42 1.20 -0.69 -0.54 2.07 -1.62 -0.99 116.25 116.10 3nmm h VAL 55 Ca 0.07 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3nmm h VAL 55 Cb 0.64 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3nmm h VAL 55 CO 0.04 0.22 0.38 0.11 0.02 0.00 0.00 177.57 178.34 3nmm h LYS 56 N 0.47 0.96 -0.52 1.57 1.57 -0.97 -0.61 116.57 119.05 3nmm h LYS 56 Ca 0.13 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3nmm h LYS 56 Cb 0.20 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3nmm h LYS 56 CO -0.01 0.72 0.11 0.78 -0.57 0.00 0.00 179.45 180.48 3nmm h GLY 57 N 0.95 0.91 0.97 3.86 0.00 -0.52 -0.88 103.07 108.36 3nmm h GLY 57 Ca 0.24 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3nmm h GLY 57 CO -0.04 0.55 0.18 -0.25 0.00 0.00 0.00 176.54 176.98 3nmm h TRP 58 N 0.73 0.42 -0.67 5.60 7.01 -0.96 -1.80 115.95 126.29 3nmm h TRP 58 Ca 0.16 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.22 3nmm h TRP 58 Cb 0.37 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 3nmm h TRP 58 CO 0.03 0.32 0.36 0.78 -2.79 0.00 0.00 178.44 177.14 3nmm h GLY 59 N 0.40 0.98 1.02 2.65 0.00 -0.83 -0.36 103.07 106.94 3nmm h GLY 59 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3nmm h GLY 59 CO -0.02 0.14 0.20 0.50 0.00 0.00 0.00 176.54 177.36 3nmm h LYS 60 N 0.66 1.00 -0.50 4.80 1.57 -0.90 -0.73 116.57 122.47 3nmm h LYS 60 Ca 0.30 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3nmm h LYS 60 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3nmm h LYS 60 CO -0.19 0.88 -0.12 0.87 -0.57 0.00 0.00 179.45 180.32 3nmm h LYS 61 N 0.93 0.97 -0.49 3.15 1.57 -0.77 -0.63 116.57 121.31 3nmm h LYS 61 Ca 0.21 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3nmm h LYS 61 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3nmm h LYS 61 CO -0.01 1.05 0.13 0.28 -0.57 0.00 0.00 179.45 180.33 3nmm h VAL 62 N 0.83 1.24 -0.30 0.50 2.07 -1.03 -1.07 116.25 118.48 3nmm h VAL 62 Ca 0.13 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3nmm h VAL 62 Cb 0.69 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3nmm h VAL 62 CO 0.05 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.11 3nmm h ALA 63 N 0.99 0.38 -0.88 1.67 0.00 -1.00 -0.35 119.26 120.06 3nmm h ALA 63 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nmm h ALA 63 Cb 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3nmm h ALA 63 CO -0.00 -0.19 0.56 -0.44 0.00 0.00 0.00 179.25 179.18 3nmm h ASP 64 N 0.36 1.04 -0.50 0.00 3.32 -0.85 0.19 116.42 119.98 3nmm h ASP 64 Ca 0.12 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3nmm h ASP 64 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3nmm h ASP 64 CO -0.06 0.77 0.08 0.00 -1.72 0.00 0.00 179.24 178.32 3nmm h ALA 65 N 1.31 0.67 -0.69 3.45 0.00 -0.71 -0.68 119.26 122.59 3nmm h ALA 65 Ca 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3nmm h ALA 65 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3nmm h ALA 65 CO -0.06 0.40 0.22 -0.07 0.00 0.00 0.00 179.25 179.73 3nmm h LEU 66 N 0.71 0.99 -0.66 0.00 3.38 -0.71 -0.38 115.31 118.64 3nmm h LEU 66 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3nmm h LEU 66 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3nmm h LEU 66 CO 0.01 0.92 0.39 0.74 0.09 0.00 0.00 178.44 180.59 3nmm h THR 67 N 1.02 1.20 -0.44 0.22 2.02 -0.69 0.75 112.91 116.98 3nmm h THR 67 Ca 0.23 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3nmm h THR 67 Cb 0.28 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3nmm h THR 67 CO -0.01 0.21 0.29 -1.13 0.37 0.00 0.00 175.52 175.25 3nmm h ASN 68 N 0.90 0.49 -0.32 4.18 -1.24 -0.80 -1.48 115.58 117.32 3nmm h ASN 68 Ca 0.24 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 3nmm h ASN 68 Cb -0.00 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3nmm h ASN 68 CO -0.04 0.35 0.07 0.00 -1.29 0.00 0.00 177.43 176.52 3nmm h ALA 69 N 1.17 0.43 -0.93 1.57 0.00 -0.39 -1.31 119.26 119.79 3nmm h ALA 69 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3nmm h ALA 69 Cb -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3nmm h ALA 69 CO -0.05 0.10 0.61 0.28 0.00 0.00 0.00 179.25 180.20 3nmm h VAL 70 N 0.36 1.24 0.00 0.00 2.07 -0.75 -1.19 116.25 117.99 3nmm h VAL 70 Ca 0.10 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3nmm h VAL 70 Cb 0.31 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3nmm h VAL 70 CO 0.00 0.24 -0.47 0.00 0.02 0.00 0.00 177.57 177.36 3nmm h ALA 71 N 1.41 1.22 -1.00 1.67 0.00 -0.92 -3.24 119.26 118.40 3nmm h ALA 71 Ca 0.34 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 3nmm h ALA 71 Cb -0.13 -0.08 -0.42 0.00 0.00 0.00 0.00 17.79 17.16 3nmm h ALA 71 CO -0.07 0.59 -0.83 0.72 0.00 0.00 0.00 179.25 179.66 3nmm n HIS 72 N -3.97 2.80 0.26 0.00 -0.00 -0.53 -4.89 115.22 108.89 3nmm n HIS 72 Ca -0.02 -2.54 0.11 0.00 -0.00 0.00 0.00 57.72 55.28 3nmm n HIS 72 Cb 0.49 -0.25 0.71 0.00 -0.00 0.00 0.00 29.99 30.94 3nmm n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 3nmm h VAL 73 N 2.60 0.68 -0.00 1.59 3.04 -1.26 -0.95 116.25 121.95 3nmm h VAL 73 Ca 0.29 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3nmm h VAL 73 Cb 1.30 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 3nmm h VAL 73 CO 0.74 0.11 -0.06 0.47 -1.01 0.00 0.00 177.57 177.82 3nmm n ASP 74 N -3.81 0.46 -2.49 3.17 8.00 -1.26 -4.05 116.55 116.57 3nmm n ASP 74 Ca -0.02 -0.74 -0.01 0.00 0.71 0.00 0.00 54.79 54.73 3nmm n ASP 74 Cb 0.22 -0.07 0.05 0.00 -0.02 0.00 0.00 41.12 41.30 3nmm n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3nmm n ASP 75 N -0.85 1.69 -0.12 -2.24 2.03 -0.38 -4.95 116.55 111.73 3nmm n ASP 75 Ca 0.17 -2.17 -0.04 0.00 0.52 0.00 0.00 54.79 53.27 3nmm n ASP 75 Cb 0.25 -0.44 0.16 0.00 -0.72 0.00 0.00 41.12 40.37 3nmm n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3nmm h MET 76 N 2.24 0.82 -0.84 -0.67 2.86 -1.66 -1.43 114.93 116.26 3nmm h MET 76 Ca -0.12 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 3nmm h MET 76 Cb 1.40 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.91 3nmm h MET 76 CO 0.20 0.81 0.53 -1.35 1.06 0.00 0.00 176.91 178.16 3nmm h PRO 77 N 0.77 0.96 -0.22 -0.22 0.11 -1.92 -0.60 132.00 130.89 3nmm h PRO 77 Ca 0.15 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 3nmm h PRO 77 Cb 0.43 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.33 3nmm h PRO 77 CO 0.02 0.64 -0.68 -0.91 -0.21 0.00 0.00 178.00 176.86 3nmm h ASN 78 N 0.99 0.97 -0.77 -2.05 2.35 -1.89 -2.71 115.58 112.47 3nmm h ASN 78 Ca 0.35 -0.58 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3nmm h ASN 78 Cb 0.10 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3nmm h ASN 78 CO -0.15 1.39 0.48 0.00 -1.65 0.00 0.00 177.43 177.49 3nmm h ALA 79 N 0.61 1.38 -0.57 -0.83 0.00 -0.89 -2.67 119.26 116.29 3nmm h ALA 79 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3nmm h ALA 79 Cb 1.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3nmm h ALA 79 CO 0.14 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.22 3nmm n LEU 80 N -4.39 4.80 -0.15 0.00 4.77 -0.26 -4.72 117.00 117.04 3nmm n LEU 80 Ca 0.08 -2.60 -0.05 0.00 -0.03 0.00 0.00 56.01 53.41 3nmm n LEU 80 Cb 0.06 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.61 3nmm n LEU 80 CO 0.37 0.75 1.02 -1.28 -1.33 0.00 0.00 177.39 176.92 3nmm h SER 81 N 3.70 0.36 -0.20 -1.43 0.87 -1.13 -0.39 113.55 115.32 3nmm h SER 81 Ca 0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3nmm h SER 81 Cb 1.54 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 3nmm h SER 81 CO 0.28 0.25 0.03 0.00 -0.53 0.00 0.00 176.83 176.86 3nmm h ALA 82 N 1.25 1.51 0.05 6.23 0.00 -1.84 -1.57 119.26 124.89 3nmm h ALA 82 Ca 0.20 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 3nmm h ALA 82 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3nmm h ALA 82 CO -0.14 0.36 -1.05 -0.07 0.00 0.00 0.00 179.25 178.35 3nmm h LEU 83 N 0.43 0.33 -0.69 0.00 3.38 -1.68 -0.84 115.31 116.25 3nmm h LEU 83 Ca 0.10 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3nmm h LEU 83 Cb 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3nmm h LEU 83 CO 0.00 1.18 0.01 -1.28 0.09 0.00 0.00 178.44 178.45 3nmm h SER 84 N 0.10 1.00 -0.49 -0.43 0.87 -0.88 -1.29 113.55 112.42 3nmm h SER 84 Ca -0.08 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 3nmm h SER 84 Cb 1.75 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.41 3nmm h SER 84 CO 0.17 1.04 0.28 0.44 -0.53 0.00 0.00 176.83 178.23 3nmm h ASP 85 N 0.94 0.61 -0.44 6.23 3.32 -1.13 -1.50 116.42 124.45 3nmm h ASP 85 Ca 0.17 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3nmm h ASP 85 Cb 0.53 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3nmm h ASP 85 CO 0.03 0.51 0.08 0.25 -1.72 0.00 0.00 179.24 178.39 3nmm h LEU 86 N 0.65 0.69 -0.31 1.55 5.85 -0.86 0.52 115.31 123.40 3nmm h LEU 86 Ca 0.17 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.45 3nmm h LEU 86 Cb 0.03 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3nmm h LEU 86 CO -0.03 0.77 -0.67 0.45 -0.34 0.00 0.00 178.44 178.61 3nmm h HIS 87 N 0.58 0.90 -0.28 1.25 3.86 -1.22 -1.02 115.15 119.21 3nmm h HIS 87 Ca 0.13 -0.37 -0.16 0.00 -1.16 0.00 0.00 60.37 58.82 3nmm h HIS 87 Cb 0.36 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3nmm h HIS 87 CO 0.02 1.16 -0.48 0.00 0.86 0.00 0.00 177.93 179.50 3nmm h ALA 88 N 0.75 0.62 0.00 2.45 0.00 -1.06 0.33 119.26 122.35 3nmm h ALA 88 Ca -0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 3nmm h ALA 88 Cb 1.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3nmm h ALA 88 CO 0.13 0.68 -1.98 0.72 0.00 0.00 0.00 179.25 178.80 3nmm n HIS 89 N -4.01 0.00 0.01 0.00 8.25 0.15 -4.61 115.22 115.01 3nmm n HIS 89 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3nmm n HIS 89 Cb 0.58 -0.61 -0.00 0.00 1.12 0.00 0.00 29.99 31.08 3nmm n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3nmm n LYS 90 N -2.36 0.00 -0.05 -0.41 5.02 -0.71 -4.88 118.16 114.78 3nmm n LYS 90 Ca -0.15 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 3nmm n LYS 90 Cb 0.74 -0.10 -0.04 0.00 -0.02 0.00 0.00 35.03 35.62 3nmm n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3nmm h LEU 91 N -0.00 0.24 -1.10 -0.35 3.38 -1.34 -3.47 115.31 112.67 3nmm h LEU 91 Ca 0.00 -0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.49 3nmm h LEU 91 Cb 0.00 -0.06 0.09 0.00 0.09 0.00 0.00 40.66 40.78 3nmm h LEU 91 CO 0.00 0.23 -0.73 0.54 0.09 0.00 0.00 178.44 178.57 3nmm n ARG 92 N -4.91 -6.79 -2.03 1.13 1.74 0.11 -4.93 116.66 100.98 3nmm n ARG 92 Ca -0.04 0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 57.37 3nmm n ARG 92 Cb 0.06 -5.70 -0.03 0.00 -1.02 0.00 0.00 32.46 25.77 3nmm n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nmm s VAL 93 N -3.36 3.14 0.30 1.55 1.01 -1.26 -4.94 120.40 116.85 3nmm s VAL 93 Ca 0.46 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 3nmm s VAL 93 Cb -0.21 -3.44 -0.12 0.00 0.00 0.00 0.00 36.38 32.60 3nmm s VAL 93 CO 0.77 0.02 1.49 -0.67 0.00 0.00 0.00 175.10 176.71 3nmm n ASP 94 N 4.93 3.43 0.02 3.32 2.03 -1.26 -4.82 116.55 124.19 3nmm n ASP 94 Ca 0.14 1.16 0.22 0.00 0.52 0.00 0.00 54.79 56.83 3nmm n ASP 94 Cb 0.41 -1.54 0.73 0.00 -0.72 0.00 0.00 41.12 40.00 3nmm n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3nmm h PRO 95 N 4.10 0.00 0.00 -0.67 0.11 -2.00 -1.21 132.00 132.32 3nmm h PRO 95 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3nmm h PRO 95 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3nmm h PRO 95 CO 0.74 0.00 -0.01 -0.39 -0.21 0.00 0.00 178.00 178.13 3nmm h VAL 96 N 0.00 0.86 0.00 3.15 -1.51 -2.03 -2.16 116.25 114.56 3nmm h VAL 96 Ca 0.25 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.68 3nmm h VAL 96 Cb 1.17 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3nmm h VAL 96 CO -0.00 0.01 -0.09 0.78 -1.23 0.00 0.00 177.57 177.03 3nmm h ASN 97 N 0.00 0.00 -0.12 4.19 2.35 -1.56 -2.97 115.58 117.47 3nmm h ASN 97 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3nmm h ASN 97 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3nmm h ASN 97 CO 0.00 0.09 -0.08 -0.26 -1.65 0.00 0.00 177.43 175.54 3nmm h PHE 98 N 0.00 0.44 -0.45 1.19 0.04 -1.56 -1.84 116.94 114.76 3nmm h PHE 98 Ca -0.00 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 3nmm h PHE 98 Cb 0.58 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 3nmm h PHE 98 CO 0.00 0.50 -0.00 0.87 -0.60 0.00 0.00 178.31 179.07 3nmm h LYS 99 N 0.40 0.74 0.03 1.51 1.57 -1.69 -0.75 116.57 118.38 3nmm h LYS 99 Ca 0.08 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3nmm h LYS 99 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3nmm h LYS 99 CO 0.02 0.75 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.56 3nmm h LEU 100 N 0.69 -0.04 -0.84 2.94 3.38 -1.47 -1.20 115.31 118.78 3nmm h LEU 100 Ca 0.14 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3nmm h LEU 100 Cb 0.43 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3nmm h LEU 100 CO 0.02 0.35 0.55 0.25 0.09 0.00 0.00 178.44 179.70 3nmm h LEU 101 N -0.43 0.95 -0.49 1.67 5.85 -1.34 -1.77 115.31 119.76 3nmm h LEU 101 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3nmm h LEU 101 Cb 0.40 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3nmm h LEU 101 CO 0.01 0.69 0.26 0.28 -0.34 0.00 0.00 178.44 179.34 3nmm h SER 102 N 1.12 0.61 -0.67 1.25 0.02 -1.06 0.11 113.55 114.94 3nmm h SER 102 Ca 0.31 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3nmm h SER 102 Cb -0.12 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.21 3nmm h SER 102 CO -0.07 0.53 0.38 -0.74 -1.14 0.00 0.00 176.83 175.79 3nmm h HIS 103 N 0.64 0.69 -0.07 3.45 -0.00 -1.04 -0.71 115.15 118.12 3nmm h HIS 103 Ca 0.17 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.47 3nmm h HIS 103 Cb 0.06 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3nmm h HIS 103 CO -0.02 0.33 -0.42 0.00 -0.00 0.00 0.00 177.93 177.83 3nmm h LEU 105 N 0.12 0.76 -0.66 0.00 3.38 -0.48 -1.18 115.31 117.26 3nmm h LEU 105 Ca 0.01 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3nmm h LEU 105 Cb 0.80 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3nmm h LEU 105 CO 0.06 0.97 0.20 0.25 0.09 0.00 0.00 178.44 180.01 3nmm h LEU 106 N 0.54 0.97 -0.69 1.67 5.85 -0.73 -1.04 115.31 121.87 3nmm h LEU 106 Ca 0.09 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3nmm h LEU 106 Cb 0.67 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3nmm h LEU 106 CO 0.05 0.93 0.29 0.58 -0.34 0.00 0.00 178.44 179.94 3nmm h VAL 107 N 0.97 1.24 -0.65 1.05 2.07 -0.93 -0.05 116.25 119.95 3nmm h VAL 107 Ca 0.21 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3nmm h VAL 107 Cb 0.31 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3nmm h VAL 107 CO -0.00 0.30 0.42 0.74 0.02 0.00 0.00 177.57 179.05 3nmm h THR 108 N 0.98 1.17 -0.29 2.57 2.02 -0.81 -1.10 112.91 117.44 3nmm h THR 108 Ca 0.23 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3nmm h THR 108 Cb 0.19 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3nmm h THR 108 CO -0.02 0.17 0.03 -0.07 0.37 0.00 0.00 175.52 175.99 3nmm h LEU 109 N 0.88 0.49 -0.82 2.58 3.38 -0.82 -2.05 115.31 118.94 3nmm h LEU 109 Ca 0.24 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3nmm h LEU 109 Cb -0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 3nmm h LEU 109 CO -0.05 0.65 0.46 0.00 0.09 0.00 0.00 178.44 179.58 3nmm h ALA 110 N 0.86 1.18 0.00 1.53 0.00 -0.78 0.23 119.26 122.27 3nmm h ALA 110 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3nmm h ALA 110 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3nmm h ALA 110 CO 0.01 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.19 3nmm h ALA 111 N 1.47 0.99 0.00 0.00 0.00 -0.76 -3.27 119.26 117.69 3nmm h ALA 111 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3nmm h ALA 111 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3nmm h ALA 111 CO -0.27 0.16 -0.79 0.72 0.00 0.00 0.00 179.25 179.07 3nmm n HIS 112 N -3.23 0.00 -2.92 0.00 -0.00 -0.77 -4.76 115.22 103.55 3nmm n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 3nmm n HIS 112 Cb 0.41 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.99 30.29 3nmm n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3nmm n LEU 113 N -1.43 4.34 -0.32 2.41 4.77 0.72 -4.92 117.00 122.57 3nmm n LEU 113 Ca 0.01 -5.62 0.11 0.00 -0.03 0.00 0.00 56.01 50.48 3nmm n LEU 113 Cb 0.20 -0.49 0.33 0.00 -2.33 0.00 0.00 43.42 41.13 3nmm n LEU 113 CO 0.21 2.34 1.22 1.55 -1.33 0.00 0.00 177.39 181.39 3nmm h PRO 114 N 2.95 0.76 -0.09 3.23 0.13 -1.83 -1.46 132.00 135.69 3nmm h PRO 114 Ca 0.14 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 3nmm h PRO 114 Cb 0.56 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.52 3nmm h PRO 114 CO 0.81 0.50 -0.79 0.00 -0.23 0.00 0.00 178.00 178.29 3nmm h ALA 115 N 1.59 0.44 0.00 -0.56 0.00 -1.94 -3.36 119.26 115.44 3nmm h ALA 115 Ca 0.50 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3nmm h ALA 115 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3nmm h ALA 115 CO -0.27 0.74 -1.45 0.39 0.00 0.00 0.00 179.25 178.66 3nmm n GLU 116 N -3.86 0.63 -1.43 0.00 4.71 -0.86 -4.62 120.64 115.21 3nmm n GLU 116 Ca -0.06 0.09 -0.39 0.00 -0.01 0.00 0.00 57.16 56.78 3nmm n GLU 116 Cb 0.75 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 29.41 3nmm n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3nmm n PHE 117 N -2.68 2.47 -1.30 -0.32 7.35 -0.61 -4.76 117.46 117.61 3nmm n PHE 117 Ca -0.07 -3.05 -0.29 0.00 -0.76 0.00 0.00 57.45 53.28 3nmm n PHE 117 Cb 0.70 -2.39 0.15 0.00 0.35 0.00 0.00 39.48 38.29 3nmm n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nmm s THR 118 N 1.66 2.34 0.22 -2.13 -4.23 -1.26 -4.75 115.64 107.49 3nmm s THR 118 Ca 0.67 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 3nmm s THR 118 Cb 0.18 -2.68 0.17 0.00 1.34 0.00 0.00 72.50 71.51 3nmm s THR 118 CO -0.07 -0.14 1.78 -0.65 -0.54 0.00 0.00 174.62 175.00 3nmm h PRO 119 N -1.62 0.58 -0.39 3.99 0.11 -1.99 0.37 132.00 133.04 3nmm h PRO 119 Ca -0.51 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 3nmm h PRO 119 Cb 1.31 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3nmm h PRO 119 CO 0.58 0.38 -0.20 0.00 -0.21 0.00 0.00 178.00 178.55 3nmm h ALA 120 N 1.43 0.91 -0.25 -0.75 0.00 -1.96 -1.76 119.26 116.87 3nmm h ALA 120 Ca 0.35 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3nmm h ALA 120 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nmm h ALA 120 CO -0.27 0.62 -0.58 0.28 0.00 0.00 0.00 179.25 179.31 3nmm h VAL 121 N 0.67 1.28 -0.28 0.00 2.07 -1.74 -1.72 116.25 116.53 3nmm h VAL 121 Ca 0.10 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 65.88 3nmm h VAL 121 Cb 0.70 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3nmm h VAL 121 CO 0.05 0.57 0.04 -0.74 0.02 0.00 0.00 177.57 177.51 3nmm h HIS 122 N 0.61 0.06 -0.38 1.57 6.17 -0.77 0.13 115.15 122.54 3nmm h HIS 122 Ca 0.01 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.11 3nmm h HIS 122 Cb 1.18 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 31.10 3nmm h HIS 122 CO 0.07 0.00 0.25 0.00 0.71 0.00 0.00 177.93 178.96 3nmm h ALA 123 N 1.21 0.49 -0.44 5.26 0.00 -1.11 -0.47 119.26 124.21 3nmm h ALA 123 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3nmm h ALA 123 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3nmm h ALA 123 CO -0.19 -0.05 0.13 0.77 0.00 0.00 0.00 179.25 179.91 3nmm h SER 124 N 0.52 0.65 -0.64 0.00 0.02 -0.90 -1.07 113.55 112.14 3nmm h SER 124 Ca 0.14 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3nmm h SER 124 Cb -0.05 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3nmm h SER 124 CO -0.03 0.69 0.34 -0.07 -1.14 0.00 0.00 176.83 176.62 3nmm h LEU 125 N 0.57 0.81 -0.37 5.07 3.38 -0.58 0.10 115.31 124.28 3nmm h LEU 125 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3nmm h LEU 125 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3nmm h LEU 125 CO -0.00 0.68 0.20 -0.78 0.09 0.00 0.00 178.44 178.63 3nmm h ASP 126 N 0.87 0.47 -0.85 -0.43 3.58 -0.80 -0.94 116.42 118.32 3nmm h ASP 126 Ca 0.22 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3nmm h ASP 126 Cb 0.06 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 3nmm h ASP 126 CO -0.03 0.43 0.49 0.11 -2.88 0.00 0.00 179.24 177.36 3nmm h LYS 127 N 0.47 1.16 -0.20 0.28 1.57 -1.01 -1.64 116.57 117.21 3nmm h LYS 127 Ca 0.13 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3nmm h LYS 127 Cb 0.07 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3nmm h LYS 127 CO -0.02 0.83 0.06 0.35 -0.57 0.00 0.00 179.45 180.10 3nmm h PHE 128 N 1.17 0.32 -0.32 -1.35 3.57 -0.49 -0.02 116.94 119.81 3nmm h PHE 128 Ca 0.30 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 3nmm h PHE 128 Cb -0.02 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3nmm h PHE 128 CO 0.00 0.41 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.30 3nmm h LEU 129 N 0.14 0.53 -0.86 0.59 3.38 -1.06 0.02 115.31 118.05 3nmm h LEU 129 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3nmm h LEU 129 Cb 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3nmm h LEU 129 CO -0.00 0.68 0.33 0.00 0.09 0.00 0.00 178.44 179.54 3nmm h ALA 130 N 1.37 1.10 -0.31 1.53 0.00 -0.98 -0.44 119.26 121.53 3nmm h ALA 130 Ca 0.09 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3nmm h ALA 130 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3nmm h ALA 130 CO 0.03 0.65 -0.09 1.03 0.00 0.00 0.00 179.25 180.87 3nmm h SER 131 N 1.14 0.61 -0.52 0.00 0.87 -0.11 -0.76 113.55 114.79 3nmm h SER 131 Ca 0.27 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3nmm h SER 131 Cb 0.19 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3nmm h SER 131 CO -0.03 0.85 0.34 0.58 -0.53 0.00 0.00 176.83 178.04 3nmm h VAL 132 N 0.37 1.14 -0.73 2.23 2.07 -0.91 -1.55 116.25 118.87 3nmm h VAL 132 Ca 0.08 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3nmm h VAL 132 Cb 0.59 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3nmm h VAL 132 CO 0.03 0.14 0.46 0.28 0.02 0.00 0.00 177.57 178.50 3nmm h SER 133 N 0.70 0.76 -0.46 0.57 0.02 -0.83 0.36 113.55 114.67 3nmm h SER 133 Ca 0.19 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3nmm h SER 133 Cb -0.06 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3nmm h SER 133 CO -0.04 0.52 0.28 0.74 -1.14 0.00 0.00 176.83 177.19 3nmm h THR 134 N 0.90 1.15 -0.64 -2.27 2.02 -0.74 -1.74 112.91 111.59 3nmm h THR 134 Ca 0.29 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3nmm h THR 134 Cb 0.01 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3nmm h THR 134 CO -0.11 0.15 0.27 0.58 0.37 0.00 0.00 175.52 176.78 3nmm h VAL 135 N 0.62 1.23 0.00 3.16 2.07 -0.63 -1.88 116.25 120.82 3nmm h VAL 135 Ca 0.17 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3nmm h VAL 135 Cb 0.00 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3nmm h VAL 135 CO -0.03 0.28 -0.06 -0.07 0.02 0.00 0.00 177.57 177.71 3nmm h LEU 136 N 0.90 0.00 -2.31 2.57 3.38 -0.47 -2.65 115.31 116.73 3nmm h LEU 136 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3nmm h LEU 136 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3nmm h LEU 136 CO -0.02 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.92 3nmm n THR 137 N -3.22 0.56 0.31 0.22 -2.24 -0.70 -4.47 114.28 104.75 3nmm n THR 137 Ca -0.00 -0.78 0.17 0.00 -2.27 0.00 0.00 64.05 61.17 3nmm n THR 137 Cb 0.31 0.88 0.73 0.00 -2.10 0.00 0.00 70.33 70.15 3nmm n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3nmm h SER 138 N 3.22 0.00 -0.33 3.42 4.64 -0.97 -2.77 113.55 120.76 3nmm h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nmm h SER 138 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3nmm h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3nmm n LYS 139 N -2.82 2.88 0.01 4.77 5.02 -1.26 -4.67 118.16 122.10 3nmm n LYS 139 Ca 0.00 -2.07 0.05 0.00 -2.02 0.00 0.00 58.31 54.26 3nmm n LYS 139 Cb 0.22 -1.29 0.44 0.00 -0.02 0.00 0.00 35.03 34.38 3nmm n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3nmm h TYR 140 N 1.91 0.48 0.00 2.13 0.99 -1.81 -3.46 116.97 117.21 3nmm h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3nmm h TYR 140 Cb 0.76 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.33 3nmm h TYR 140 CO 0.24 0.30 0.00 2.89 -0.00 0.00 0.00 178.16 181.58